N-[2-(aminomethyl)cyclopentyl]-N-ethyl-4-methyl-5-nitropyridin-2-amine

C14H22N4O2 — CID 79176166

IUPACN-[2-(aminomethyl)cyclopentyl]-N-ethyl-4-methyl-5-nitropyridin-2-amine
SMILESCCN(c1cc(C)c([N+](=O)[O-])cn1)C1CCCC1CN
InChIInChI=1S/C14H22N4O2/c1-3-17(12-6-4-5-11(12)8-15)14-7-10(2)13(9-16-14)18(19)20/h7,9,11-12H,3-6,8,15H2,1-2H3
InChIKeyFDTDVEYSZYUFOU-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.25
Rot. Bonds5

About N-[2-(aminomethyl)cyclopentyl]-N-ethyl-4-methyl-5-nitropyridin-2-amine

N-[2-(aminomethyl)cyclopentyl]-N-ethyl-4-methyl-5-nitropyridin-2-amine (PubChem CID 79176166) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-N-ethyl-4-methyl-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-N-ethyl-4-methyl-5-nitropyridin-2-amine
PubChem CID79176166
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-N-ethyl-4-methyl-5-nitropyridin-2-amine
SMILESCCN(c1cc(C)c([N+](=O)[O-])cn1)C1CCCC1CN
InChIInChI=1S/C14H22N4O2/c1-3-17(12-6-4-5-11(12)8-15)14-7-10(2)13(9-16-14)18(19)20/h7,9,11-12H,3-6,8,15H2,1-2H3
InChIKeyFDTDVEYSZYUFOU-UHFFFAOYSA-N
XLogP2.25
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[2-(aminomethyl)cyclopentyl]-N-ethyl-4-methyl-5-nitropyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-N-ethyl-4-methyl-5-nitropyridin-2-amine?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-N-ethyl-4-methyl-5-nitropyridin-2-amine (CID 79176166) is N-[2-(aminomethyl)cyclopentyl]-N-ethyl-4-methyl-5-nitropyridin-2-amine.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-N-ethyl-4-methyl-5-nitropyridin-2-amine?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-N-ethyl-4-methyl-5-nitropyridin-2-amine is CCN(c1cc(C)c([N+](=O)[O-])cn1)C1CCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-N-ethyl-4-methyl-5-nitropyridin-2-amine?
The InChIKey is FDTDVEYSZYUFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-17(12-6-4-5-11(12)8-15)14-7-10(2)13(9-16-14)18(19)20/h7,9,11-12H,3-6,8,15H2,1-2H3.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-N-ethyl-4-methyl-5-nitropyridin-2-amine?
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-4-methyl-5-nitropyridin-2-amine has a molecular weight of 278.36 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-N-ethyl-4-methyl-5-nitropyridin-2-amine is sourced from PubChem (CID 79176166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).